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SMILES: Cc1ccc2n3C[C@@](CCc3c(C=O)c2c1)(NC(=O)c1c(Cl)cc(cc1Cl)-n1cnnc1)c1ccccc1

InChI Key: InChIKey=ZAVRVEIZZAMQKC-GDLZYMKVSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 405978   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Coagulation factor IX


(Homo sapiens (Human))		BDBM405978
PNG
(US10351558, Example 153)
Show SMILES Cc1ccc2n3C[C@@](CCc3c(C=O)c2c1)(NC(=O)c1c(Cl)cc(cc1Cl)-n1cnnc1)c1ccccc1 |r|
Show InChI InChI=1S/C29H23Cl2N5O2/c1-18-7-8-25-21(11-18)22(14-37)26-9-10-29(15-36(25)26,19-5-3-2-4-6-19)34-28(38)27-23(30)12-20(13-24(27)31)35-16-32-33-17-35/h2-8,11-14,16-17H,9-10,15H2,1H3,(H,34,38)/t29-/m1/s1
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 1.61n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
TBD

US Patent US10351558 (2019)


BindingDB Entry DOI: 10.7270/Q2SX6GKR
More data for this
Ligand-Target Pair